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dimethyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1,3-dicarboxylate

dimethyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1,3-dicarboxylate

Systemtic Name:dimethyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1,3-dicarboxylate
Openeye Name:dimethyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1,3-dicarboxylate
CAS Name:4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]piperazine-1,3-dicarboxylic acid dimethyl ester
IUPAC Name:dimethyl 4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-1,3-dicarboxylate
Traditional Name:4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-1,3-dicarboxylic acid dimethyl ester
Formula: C17H19N3O7S
MolecularWeight: 409.41366
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-])C(=O)OC


Isomeric SMILES

COC(=O)C1CN(CCN1C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-])C(=O)OC


InChI

InChI=1S/C17H19N3O7S/c1-10(11-4-5-14(28)12(8-11)20(24)25)15(21)19-7-6-18(17(23)27-3)9-13(19)16(22)26-2/h4-5,8,13,28H,1,6-7,9H2,2-3H3


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